Information card for entry 2237114

Structure parameters

• Chemical name: Triphenyl[(triphenylphosphoranylidene)amino]phosphonium tetrakis(pentafluorophenyl)borate
• Formula: C60 H30 B F20 N P2
• Calculated formula: C60 H30 B F20 N P2
• SMILES: P(=N[P+](c1ccccc1)(c1ccccc1)c1ccccc1)(c1ccccc1)(c1ccccc1)c1ccccc1.[B-](c1c(c(c(c(c1F)F)F)F)F)(c1c(c(c(c(c1F)F)F)F)F)(c1c(c(c(c(c1F)F)F)F)F)c1c(c(c(c(c1F)F)F)F)F
• Title of publication: Triphenyl[(triphenylphosphoranylidene)amino]phosphonium tetrakis(pentafluorophenyl)borate
• Authors of publication: Vanýsek, Petr; Zheng, Chong
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2013
• Journal volume: 69
• Journal issue: 1
• Pages of publication: o87
• a: 13.3081 ± 0.0015 Å
• b: 25.196 ± 0.003 Å
• c: 16.0355 ± 0.0018 Å
• α: 90°
• β: 100.094 ± 0.002°
• γ: 90°
• Cell volume: 5293.7 ± 1.1 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0464
• Residual factor for significantly intense reflections: 0.0378
• Weighted residual factors for significantly intense reflections: 0.0985
• Weighted residual factors for all reflections included in the refinement: 0.104
• Goodness-of-fit parameter for all reflections included in the refinement: 1.067
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes